Molecule card · MolClass #47112
4242151
4242151: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4242151Mitochondrial Fusion · compound_name
- MolClass ID
- 47112
- InChIKey
- GDLCPBKSWGLXRT-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CC1CS(=O)(=O)CC1N2c3ccc(cc3)Oc4ccccc4
- Standard InChI
- InChI=1S/C18H17NO4S/c20-18-10-13-11-24(21,22)12-17(13)19(18)14-6-8-16(9-7-14)23-15-4-2-1-3-5-15/h1-9,13,17H,10-12H2
- Stored Murcko scaffold
- O(c1ccccc1)c2ccc(cc2)N3[CH]CC4CSCC34
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.328
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 4242151